Sugi Predict

Sugi Predict / Compounds / SCHEMBL4011996

SCHEMBL4011996

SCHEMBL4011996

CS(=O)(=O)c1cccc(Oc2ccc(Cl)c(-c3ccnc4c(S(C)(=O)=O)cccc34)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 18/20 0.66
▸ NR1H3 Q13133 17/20 0.66
▸ RXRA P19793 1/20 0.56
▸ PTGDR2 Q9Y5Y4 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4012778 0.92 NR1H2 (0.56) NR1H2NR1H3RXRAPTGDR2
SCHEMBL4020515 0.92 NR1H2 (0.78) NR1H2NR1H3RXRA
SCHEMBL4013247 0.91 NR1H2 (0.56) NR1H2NR1H3RXRAPTGDR2
SCHEMBL4018729 0.89 NR1H2 (0.53) NR1H2NR1H3RXRAPTGDR2
SCHEMBL4017772 0.89 NR1H2 (0.65) NR1H2NR1H3RXRA
SCHEMBL4011491 0.88 NR1H2 (0.64) NR1H2NR1H3RXRA
SCHEMBL4011973 0.88 NR1H2 (0.58) NR1H2NR1H3RXRAPTGDR2
SCHEMBL4012025 0.87 NR1H2 (0.75) NR1H2NR1H3RXRA
SCHEMBL4012339 0.86 NR1H2 (0.49) NR1H2NR1H3RXRAPTGDR2
SCHEMBL4015117 0.86 NR1H2 (0.62) NR1H2NR1H3RXRA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 — — EP claimed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 — — WO claimed
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 — — EP disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 — — WO disclosed